SCHEMBL30825152

SCHEMBL30825152

CN1CCN(c2ccc(OCC(C)(C)O)c(Nc3ncc(F)cn3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 4/20 0.46
▸ PLK1 P53350 13/20 0.44
▸ PLK3 Q9H4B4 4/20 0.44
▸ PLK2 Q9NYY3 4/20 0.44
▸ FLT3 P36888 3/20 0.44
▸ NEK6 Q9HC98 1/20 0.44
▸ MAPK7 Q13164 1/20 0.43
▸ TTK P33981 1/20 0.43
▸ CSNK2A2 P19784 2/20 0.42
▸ MELK Q14680 2/20 0.42
▸ CSNK2B P67870 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.42
▸ CSNK2A3 Q8NEV1 1/20 0.42
▸ RPS6KA4 O75676 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ IMPDH2 P12268 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CCNE1 P24864 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30825086 0.83 PLK1 (0.45) ALKPLK1PLK3PLK2FLT3
SCHEMBL30825154 0.77 ALK (0.55) ALKPLK1PLK3PLK2MAPK7
SCHEMBL29226274 0.74 MAPT (0.48) HTR6
SCHEMBL30825160 0.71 PLK1 (0.46) PLK1PLK3PLK2FLT3NEK6
SCHEMBL29226213 0.71 PLK1 (0.57) ALKPLK1PLK3PLK2FLT3
SCHEMBL30900433 0.71 PLK1 (0.57) ALKPLK1PLK3PLK2FLT3
SCHEMBL29226256 0.70 PLK1 (0.59) ALKPLK1PLK3PLK2FLT3
SCHEMBL38652586 0.70 PLK1 (0.53) ALKPLK1PLK3PLK2FLT3
SCHEMBL30825098 0.70 PLK1 (0.46) ALKPLK1PLK3PLK2FLT3
SCHEMBL29226210 0.70 SIRT6 (0.59) HTR6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024051717-A1 COMPOUND AS PLK1 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海深势唯思科技有限责任公司 2024-03-14 — — WO disclosed
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